3-[2-phenylazanyl-4-(4-phenylphenyl)-1,3-thiazol-3-ium-3-yl]propanoate

Systemtic Name: 3-[2-phenylazanyl-4-(4-phenylphenyl)-1,3-thiazol-3-ium-3-yl]propanoate Openeye Name: 3-[2-anilino-4-(4-phenylphenyl)thiazol-3-ium-3-yl]propanoate CAS Name: 3-[2-anilino-4-(4-phenylphenyl)-3-thiazol-3-iumyl]propanoate IUPAC Name: 3-[2-anilino-4-(4-phenylphenyl)-1,3-thiazol-3-ium-3-yl]propanoate Traditional Name: 3-[2-anilino-4-(4-phenylphenyl)thiazol-3-ium-3-yl]propionate Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=[N+]3CCC(=O)[O-])NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=[N+]3CCC(=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O2S/c27-23(28)15-16-26-22(17-29-24(26)25-21-9-5-2-6-10-21)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,27,28)